[gmx-users] HELP:how could the simulation restarted from md*_prev.cpt rather than the md*.cpt
张慧玲
hl.zhang at siat.ac.cn
Thu Oct 27 05:06:03 CEST 2016
Hi,
I have 17 replicas for a simulation, and Gromacs outputs two cpt files for each replica: md*_prev.cpt and md*.cpt
I know I can restart the simulation from checkpoint using the command "mpirun -np 17 mdrun-deffnm md -multi 17 -noddcheck -replex 50000 -nsteps 100000000 -cpi md", but how could I restart the simulatio from md*_prev.cpt rather than the md*.cpt?
Thanks a lot for your help.
Hui
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